2-(1,2-dihydropyridin-4-yloxy)-5-(2-phenylethanoylcarbamothioylamino)benzamide

Systemtic Name: 2-(1,2-dihydropyridin-4-yloxy)-5-(2-phenylethanoylcarbamothioylamino)benzamide Openeye Name: 2-(1,2-dihydropyridin-4-yloxy)-5-[(2-phenylacetyl)carbamothioylamino]benzamide CAS Name: 2-(1,2-dihydropyridin-4-yloxy)-5-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-(1,2-dihydropyridin-4-yloxy)-5-[(2-phenylacetyl)carbamothioylamino]benzamide Traditional Name: 2-(1,2-dihydropyridin-4-yloxy)-5-[(2-phenylacetyl)thiocarbamoylamino]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CN1)OC2=C(C=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C=C(C=CN1)OC2=C(C=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H20N4O3S/c22-20(27)17-13-15(6-7-18(17)28-16-8-10-23-11-9-16)24-21(29)25-19(26)12-14-4-2-1-3-5-14/h1-10,13,23H,11-12H2,(H2,22,27)(H2,24,25,26,29)